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Click on the Homework
button on the left side to see some sample homework problems
with Kintecus.
Isomer-Selective Study of the OH Initiated Oxidation of
Isoprene in the Presence of O-2 and NO. I. The Minor Inner OH-Addition Channel
Greenwald, Erin E.; Ghosh, Buddhadeb; Anderson, Katie C.; Dooley, Kristin S.; Zou, Peng;
Selby, Talitha; Osborn, David L.; Meloni, Giovanni; Taatjes, Craig A.; Goulay, Fabien;
North, Simon W.
The Journal of Physical Chemistry A, 2010, 114(2), p904-912
OH Radical Initiated Oxidation of 1,3-Butadiene: Isomeric
Selective Study of the Dominant Addition Channel
Ghosh, Buddhadeb; Bugarin, Alejandro; Connell, Brian T.; North, Simon W.
The Journal of Physical Chemistry A, 2010, 114(16), p5299-5305
Kinetics and Products of the Acid-Catalyzed Ring-Opening of Atmospherically Relevant Butyl
Epoxy Alcohols
Nathan C. Eddingsaas, David G. VanderVelde, Paul O. Wennberg
The Journal of Physical Chemistry A, 2010, 114 (31), p8106-8113
Isomer-Selective Study of the OH-Initiated Oxidation of
Isoprene in the Presence of O-2 and NO: 2. The Major OH Addition Channel
Ghosh, Buddhadeb; Bugarin, Alejandro; Connell, Brian T.; North, Simon W.
The Journal of Physical Chemistry A, 2010, 114(7), p2553-2560
Facile C-H Bond Cleavage via a Proton-Coupled Electron
Transfer Involving a C-H center dot center dot center dot Cu-II Interaction
Ribas, Xavi; Calle, Carlos; Poater, Albert; Casitas, Alicia; Gomez, Laura; Xifra, Rauel;
Parella, Teodor; Benet-Buchholz, Jordi; Schweiger, Arthur; Mitrikas, George; Sola, Miguel;
Llobet, Antoni; Stack, T. Daniel P.
Journal of the American Chemical Society, 2010,132(35), p12299-12306
Investigation of the Highly Active Manganese Superoxide
Dismutase from Saccharomyces cerevisiae
Barnese, Kevin; Sheng, Yuewei; Stich, Troy A.; Gralla, Edith B.; Britt, R. David; Cabelli,
Diane E.; Valentine, Joan Selverstone
Journal of the American Chemical Society, 2010, 132(36), p12525-12527
Role of the Azadithiolate Cofactor in Models for [FeFe]-Hydrogenase: Novel Structures and
Catalytic Implications
Matthew T. Olsen, Thomas B. Rauchfuss, Scott R. Wilson
Journal of the American Chemical Society, 2010, 132 (50), p17733-17740
Modulation of Homocysteine Toxicity by S-Nitrosothiol
Formation: A Mechanistic Approach
Morakinyo, Moshood K.; Strongin, Robert M.; Simoyi, Reuben H.
JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 114(30), p9894-9904
Oxygen and Superoxide-Mediated Redox Kinetics of Iron
Complexed by Humic Substances in Coastal Seawater
Fujii, Manabu; Rose, Andrew L.; Waite, T. David; Omura, Tatsuo
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2010, 44(24), p9337-9342
Role of Heterogeneous Precipitation in Determining the
Nature of Products Formed on Oxidation of Fe(II) in Seawater Containing Natural Organic
Matter
Bligh, Mark W.; Waite, T. David
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2010, 44(17), p6667-6673
Effect of Halide Ions and Carbonates on Organic Contaminant
Degradation by Hydroxyl Radical-Based Advanced Oxidation Processes in Saline Waters
Grebel, Janel E.; Pignatello, Joseph J.; Mitch, William A.
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2010, 44(17), p6822-6828
Kinetics and Mechanisms of N-Nitrosodimethylamine Formation
upon Ozonation of N,N-Dimethylsulfamide-Containing Waters: Bromide Catalysis
Von Gunten, Urs; Salhi, Elisabeth; Schmidt, Carsten K.; Arnold, William A.
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2010, 44(15), p5762-5768.
OH initiated oxidation of 1,3-butadiene in the presence of
O-2 and NO
Ghosh, Buddhadeb; Park, Jiho; Anderson, Katie C.; North, Simon W.
CHEMICAL PHYSICS LETTERS, 2010,494(3-Jan), p8-13
Iron speciation and iron species transformation in activated
sludge membrane bioreactors
Wang, Xiao-Mao; Waite, T. David
WATER RESEARCH, 2010, 4(11), p3511-3521
Peroxynitrite Is the Major Species Formed from Different
Flux Ratios of Co-generated Nitric Oxide and Superoxide DIRECT REACTION WITH
BORONATE-BASED FLUORESCENT PROBE
Zielonka, Jacek; Sikora, Adam; Joseph, Joy; Kalyanaraman, Balaraman
JOURNAL OF BIOLOGICAL CHEMISTRY, 2010, 285(19), p14210-14216
Calculated and measured transient product yields in pulse
radiolysis of aqueous solutions: Concentration dependence
Palfi, T.; Wojnarovits, L.; Takacs, E.
RADIATION PHYSICS AND CHEMISTRY, 2010, 79(11), p1154-1158
Pressure dependence of the deuterium isotope effect in
the photolysis of formaldehyde by ultraviolet light
Nilsson, E. J. K.; Andersen, V. F.; Skov, H.; Johnson, M. S.
ATMOSPHERIC CHEMISTRY AND PHYSICS, 2010, 10(7),p3455-3462
Detecting Operational Inactivation of Horseradish Peroxidase
using an Isoconversional Method
Puiu, Mihaela; Constantinovici, Mariana; Babaligea, Irina; Raducan, Adina; Olmazu,
Catalina; Oancea, Dumitru
CHEMICAL ENGINEERING & TECHNOLOGY, 2010, 33(3), p414-420
Peroxidase-mediated oxidation of L-dopa A kinetic approach
Puiu, Mihaela; Babaligea, Irina; Olmazu, Catalina; Raducan, Adina; Oancea, Dumitru
BIOCHEMICAL ENGINEERING JOURNAL, 2010, 52(3-Feb), p248-254
Process optimization in use of zero valent iron
nanoparticles for oxidative transformations
Mylon, Steven E.; Sun, Quan; Waite, T. David
CHEMOSPHERE, 2010, 81(1),p127-131
Simulation analysis on nitrogen pollutants formation in
combustion area of entrained-flow pulverized coal gasifier
Yuan, Shuai; Dai, Zheng-hua; Liang, Qin-feng; Wang, Fu-chen
Journal of China Coal / Meitan Xuebao, 2010, 35(1), p126-130
Computational Models of Thermal Cycling in Chemical Systems
Carl Barratt, Dante M. Lepore, Matthew J. Cherubini, Pauline M. Schwartz
International Journal of Chemistry, 2010, 2(2), p19-27.
Photochemistry and absorption cross-sections temperature
dependence of trifluoromethoxycarbonyl peroxy nitrate (CF3OC(O)OONO2)
F.E. Malanca, M.D. Manetti, M.S. Chiappero, P. Gallay, G.A. Argüello
Journal of Photochemistry and Photobiology A: Chemistry, 2009, 205,
p44-50
Intramolecular Electron Transfer in Pseudomonas aeruginosa
cd1 Nitrite Reductase: Thermodynamics and Kinetics
Ole Farver, Maurizio Brunori, Francesca Cutruzzola, Serena Rinaldo,Scot Wherland, Israel
Pecht
Biophysical Journal Volume 96 April 2009 2849–2856
Molecular Tagging Using Vibrationally Excited Nitric
Oxide in an Underexpanded Jet Flowfield
Hsu, Andrea G.; Srinivasan, Ravi; Bowersox, Rodney D. W.; North, Simon W.
AIAA JOURNAL, 2009, 47(11),p2597-2604
Kinetics of the Reactions of Isoprene-Derived Epoxides in
Model Tropospheric Aerosol Solutions
Minerath, Emily C.; Schultz, Madeline P.; Elrod, Matthew J.
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2009, 43(21),p8133-8139
Systems chemistry and Parrondo's paradox: computational
models of thermal cycling
Osipovitch, Daniel C.; Barratt, Carl; Schwartz, Pauline M.
NEW JOURNAL OF CHEMISTRY, 2009, 33(10),p2022-2027
Impact of halides on the photobleaching of dissolved organic
matter
Grebel, Janel E.; Pignatello, Joseph J.; Song, Weihua; Cooper, William J.; Mitch, William
A.
MARINE CHEMISTRY, 2009, 115(2-Jan),p134-144
Oxyhalogen-sulfur chemistry - Kinetics and mechanism of
oxidation of methionine by aqueous iodine and acidified iodate
Chikwana, Edward; Davis, Bradley; Morakinyo, Moshood K.; Simoyi, Reuben H.
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 2009,
87(6),p689-697
Temperature-Dependent Kinetics of the Vinyl Radical (C2H3) Self-Reaction
Huzeifa Ismail†,Paul R. Abel‡§ and William H. Green*, Askar Fahr
Leonard E. Jusinski, Adam M. Knepp‡, Judit Zdor, Giovanni Meloni, Talitha M. Selby,
David L. Osborn and Craig A. Taatjes*
Combustion Research Facility, Mail Stop 9055, Sandia National Laboratories,
Livermore, California 94551-0969
J. Phys. Chem. A, 2009, 113 (7), pp 1278–1286
Anomalous enrichment of 17O and 13C in photodissociation
products of CO2: Possible role of nuclear spin
Sasadhar Mahata and S. K. Bhattacharya
Physical Research Laboratory, Navrangpura, Ahmedabad 380 009, India
J. Chem. Phys. 130, 234312 (2009); doi:10.1063/1.3153845
Large and unexpected enrichment in stratospheric 16 O 13 C
18 O and its meridional variation
Laurence Y. Yeung a,1,2 , Hagit P. Affek b,1 , Katherine J. Hoag c,3 , Weifu Guo e,4 ,
Aaron A. Wiegel d , Elliot L. Atlas f ,
Sue M. Schauffler g , Mitchio Okumura a , Kristie A. Boering c,d , and John M. Eiler.
PNAS, July 14, 2009, vol. 106, no. 28,
pg11496–11501
Geological sulfur isotopes indicate elevated OCS in the
Archean atmosphere, solving faint young sun paradox
Yuichiro Ueno a,b , Matthew S. Johnson c,1 , Sebastian O. Danielache b,c,d , Carsten
Eskebjerg c , Antra Pandey b,d and Naohiro Yoshida
PNAS, September 1, 2009 , vol. 106 , no. 35, pg
14784–14789
Mechanism of the Reaction of Alkynes with a
“Constrained Geometry” Zirconaaziridine. PMe3 Dissociates More Rapidly from the
Constrained Geometry Complex than from its Cp2 Analogue
Kathleen E. Kristian, Masanori Iimura, Sarah A. Cummings, Jack R. Norton, Kevin E. Janak
and Keliang Pang
Organometallics, 2009, 28 (2), pp 493–498
Photoreductive Dissolution of Iron(III) (Hydr)oxides in the
Absence and Presence of Organic Ligands: Experimental Studies and Kinetic Modeling
Paul Borer, Barbara Sulzberger, Stephan J. Hug, Stephan M. Kraemer and Ruben Kretzschmar
Environ. Sci. Technol., 2009, 43 (6), pp 1864–1870, DOI:
10.1021/es801352k
Automatic optimization of kinetic parameters or PAH and soot
formation
M.Fischer 1* U.Riedel 2
Interdisciplinary Center for Scientific Computing (IWR)University of Heidelberg Germany
2 Institute of Combustion Technology German Aerospace Center (DLR)Stuttgart Germany
European Combstion Meeting 2009
Impact of natural organic matter on H2O2 - mediated
oxidation of Fe(II) in a simulated freshwater system
Christopher J. Miller a , Andrew L. Rose a and T. David Waite ,
a School of Civil and Environmental Engineering, The University of New South Wales,
Sydney, NSW 2052, Australia
Volume 73, Issue 10, 15 May 2009, Pages 2758-2768
Geochimica et Cosmochimica Acta
Oxyhalogen–sulfur chemistry — Kinetics and
mechanism of oxidation of methionine by aqueous iodine and acidified iodate
Edward Chikwana, Bradley Davis, Moshood K. Morakinyo, and Reuben H. Simoyi
Can. J. Chem. 87(6): 689–697 (2009)
Wavelength-Dependence of Photoreductive Dissolution of
Lepidocrocite in the Absence and Presence of the Siderophore DFOB
Paul Borer, Barbara Sulzberger, Stephan J. Hug, Stephan M. Kraemer and Ruben Kretzschma
Eawag, Swiss Federal Institute of Aquatic Science and Technology, U ¨ berlandstrasse 133,
8600 Du¨ bendorf,
Switzerland, Institute of Biogeochemistry and Pollutant Dynamics, ETH Zurich, Universita
¨tstrasse 16,
8092 Zurich, Switzerland, and Department of Environmental Geosciences, University of
Vienna, Althanstrasse 14,
1090 Vienna, Austria
Environ. Sci. Technol. 2009, 43, 1871–1876
Ferrate (Fe(VI)) Application for Municipal Wastewater
Treatment: A Novel Process for Simultaneous Micropollutant Oxidation and Phosphate Removal
Yunho Lee † , Saskia Gisela Zimmermann †, ‡ , Anh Trung Kieu † , and
Urs von Gunten*
Eawag, Swiss Federal Institute of Aquatic Science and Technology, CH-8600 Du¨ bendorf,
Switzerland, and Institute of
Biogeochemistry and Pollutant Dynamics, ETH Zurich, CH-8092 Zurich, Switzerland
Environ. Sci. Technol. 2009, 43, 3831–3838
Transformation of 17#-Ethinylestradiol during Water
Chlorination: Effects of Bromide on Kinetics, Products, and Transformation Pathways
Yunho Lee, and Urs von Gunten
Environ. Sci. Technol., 2009, 43 (2), pg480-487
Photochemistry and absorption cross-sections temperature
dependence of trifluoromethoxycarbonyl peroxy nitrate
F.E. Malanca , a, , M.D. Manetti a , M.S. Chiappero a , P. Gallay a and G.A. Argüello a
a INFIQC, Departamento de Fisicoquímica, Facultad de Ciencias Químicas, Universidad
Nacional de Córdoba, Ciudad
Universitaria, 5000 Córdoba, Argentina
Journal of Photochemistry and Photobiology A: Chemistry
Volume 205, Issue 1, 10 June 2009, Pages 44-50
Towards a Consistent Chemical Kinetic Model of Electron Beam
Irradiation of Humid Air
Karen L. Schmitt Ć D. M. Murray Ć Theodore S. Dibble
Plasma Chem Plasma Process, 2009
Chemical and Biochemical Models of Parrondo's Paradox
Daniel C. Osipovitch1, Thomas Gordon1, Carl Barratt 2 and Pauline M. Schwartz 1
1 Chemistry and Chemical Engineering
2 Mechanical Engineering, University of New Haven, West Haven, CT
The FASEB Journal, 2009
Electro-Fenton Process and Related Electrochemical
Technologies Based on Fenton’s Reaction Chemistry
Enric Brillas, Ignasi Sirs, Mehmet A. Oturan
Chemical Reviews 2009 109 (12), 6570-6631
The kinetic studies of direct methane oxidation to methanol
in the plasma process
INDARTO Antonius 1,2† , CHOI Jae-Wook 2 , LEE Hwaung 2 & SONG Hyung Keun 2
Department of Chemical and Biochemical Engineering, Korea University, Seoul 136-701,
Korea;
Clean Technology Research Center, Korea Institute of Science and Technology, Seoul
130-650, Korea
Chinese Science Bulletin | September 2008 | vol. 53 | no. 18 | 2783-2792
Characterization of Reactive Intermediates Generated
During Photolysis of 4-Acetoxy-4-aryl-2,5-cyclohexadienones: Oxenium Ions and Aryloxy
Radicals
Yue-Ting Wang, Kyoung Joo Jin, Samuel H. Leopold, Jin Wang, Huo-Lei Peng, Matthew S.
Platz, Jiadan Xue, David Lee Phillips, Stephen A. Glover, and Michael Novak
J. Am. Chem. Soc., 130 (47), 16021-16030 , 2008
Manganous Phosphate Acts as a
Superoxide Dismutase
Barnese, K.; Gralla, E. B.; Cabelli, D. E.; Selverstone Valentine, J.
J. Am. Chem. Soc.; (Communication);
2008; 130(14);
4604-4606. DOI: 10.1021/ja710162n
Direct Measurement of the Rate of Interconversion of
Zirconaaziridine Enantiomers
Cummings, S. A.; Tunge, J. A.; Norton, J. R.
J. Am. Chem. Soc.; (Article);
2008; 130(14);
4669-4679. DOI: 10.1021/ja0757935
Degradation of Tertiary Alkylaminesduring
Chlorination/Chloramination: Implications for Formation ofAldehydes, Nitriles,
Halonitroalkanes, and Nitrosamines
William Mitch, Marie Schreiber
Environ. Sci. Technol. , 42, 4811–4817, 2008
Ozonation of Source-Separated Urine for Resource Recovery
and Waste Minimization: Process Modeling, Reaction Chemistry, and Operational
Considerations
Michael C. Dodd, Steffen Zuleeg, Urs von Gunten, and Wouter Pronk
Environ. Sci. Technol., 2008
pH Effects on Iron-Catalyzed Oxidation using
Fenton’s Reagent
Christopher K. Duesterberg, Steven E. Mylon, and T. David Waite
Environ. Sci. Technol., 2008, 42 (22), 8522-8527, 2008
Estimation of the overall kinetic parameters of enzyme
inactivation using an isoconversional method
D. Oancea, Alexandrina Stuparu, Madalina Nita,
Mihaela Puiu, Adina Raducan
Biophysical Chemistry, Volume 138, Issues 1-2, , Pages 50-54, 2008
Superoxide-mediated Fe(II) formation from organically
complexed Fe(III) in coastal waters
Manabu Fujiia, Hiroaki Itoa, Andrew L. Roseb,
T. David Waiteb and Tatsuo Omura
Geochimica et Cosmochimica Acta, 2008
Transformation dynamics and reactivity of dissolved and
colloidal iron in coastal waters
Fujii M (Fujii, Manabu)1,2, Ito H (Ito, Hiroaki)2, Rose AL (Rose, Andrew L.)1, Waite TD
(Waite, T. David)1, Omura T (Omura, Tatsuo)
MARINE CHEMISTRY Volume: 110 Issue: 3-4 Pages: 165-175, 2008
Oxygenation of Fe(II) in natural waters revisited:
Kinetic modeling approaches, rate constant estimation and the importance of various
reaction pathways
Pham AN (Pham, A. Ninh)1, Waite TD (Waite, T. David)
GEOCHIMICA ET COSMOCHIMICA ACTA Volume: 72 Issue: 15 Pages: 3616-3630, 2008
Oxidase-peroxidase reaction: kinetics of
peroxidase-catalysed oxidation of 2-aminophenol
Puiu M (Puiu, Mihaela)1, Raducan A (Raducan, Adina)1, Babaligea I (Babaligea, Irina)1,
Oancea D (Oancea, Dumitru)
BIOPROCESS AND BIOSYSTEMS ENGINEERING Volume: 31 Issue: 6 Pages: 579-586,
2008
Degradation of Tertiary Alkylamines during
Chlorination/Chloramination: Implications for Formation of Aldehydes, Nitriles,
Halonitroalkanes, and Nitrosamines
Mitch, W. A.; Schreiber, I. M.
Environ. Sci. Technol.; (Article); 2008;
42(13); 4811-4817. DOI: 10.1021/es703017z
Effect of divalent cations on the kinetics of Fe(III)
complexation by organic ligands in natural waters
Manabu Fujii,Andrew L.Rose,T.David Waite,Tatsuo Omura
Geochimica et Cosmochimica Acta 72 (2008)1335
.1349
Abiotic Degradation of
Hexahydro-1,3,5-trinitro-1,3,5-triazine in the Presence of Hydrogen Sulfide and Black
Carbon
Kemper, J. M.; Ammar, E.; Mitch, W. A.
Environ. Sci. Technol.; (Article); 2008;
42(6); 2118-2123.
ATR reforming of tetradecane (C14 H30 ): A mechanistic approach
Lucas Dorazio, Marco J. Castaldi *
Earth & Environmental Engineering Department (HKSM), Columbia University,
Catalysis Today, 2008
Kinetics Feasibility Study of Alcohol Sulfate
Esterification Reactions in Tropospheric Aerosols
Minerath, E. C.; Casale, M. T.; Elrod, M. J.
Environ. Sci. Technol.; 2008;
42(12); 4410-4415. DOI: 10.1021/es8004333
On the Mechanism of Peripentacene Formation from
Pentacene: Computational Studies of a Prototype for
Graphene Formation from Smaller Acenes
Brian H. Northrop, Joseph E. Norton, and K. N. Houk*
Contribution from the Department of Chemistry and Biochemistry, UniVersity of California,
Los Angeles, California 90095
J. AM. CHEM. SOC. 2007, 129, 6536-6546
From Azobenzene Coordination to Aryl-Halide Bond
Activation by Platinum
Olena Zenkina, † Marc Altman, † Gregory Leitus, ‡ Linda J. W. Shimon,
‡ Revital Cohen, ‡ and Milko E. van der Boom* ,†
Departments of Organic Chemistry and Chemical Research Support, Weizmann Institute of
Science, 76100 RehoVot, Israel
Organometallics 2007, 26, 4528-4534
Kinetics and mechanism of the reactions of CH3CO and
CH3C(O)CH2 radicals with O2. Low-pressure discharge flow experiments and quantum chemical
computations
Gergely Kovács, Judit Zádor, Edit Farkas, Rebeka Nádasdi, István Szilágyi, Sándor
Dóbé, Tibor Bérces, Ferenc Márta and György Lendvay
Phys. Chem. Chem. Phys., 2007, 9, 4142 - 4154, DOI: 10.1039/b706216h
A QUANTITATIVE EVALUATION OF THE IRON-SULFUR WORLD AND
ITS RELEVANCE TO LIFE’S ORIGINS
David S. Ross (retired)
Affiliation: U.S. Geological Survey, Menlo Park, CA 94303, 149 Walter Hays Dr.
Palo Alto, CA 94303
Astrobiology, 2007
Enhanced Nitrogenous Disinfection ByProduct Formation
near the Breakpoint: Implications for Nitrification Control
Schreiber, I. M.; Mitch, W. A.
Environ. Sci. Technol.; (Article); 2007; 41(20); 7039-7046.
Nitrile, Aldehyde, and Halonitroalkane Formation during
Chlorination/Chloramination of Primary Amines
S U N G H E E J O O A N D W I L L I A M A . M I T C H *
Department of Chemical Engineering, Yale University, Mason Lab 313b, 9 Hillhouse Avenue,
New Haven, Connecticut 06520
Environ. Sci. Technol. 2007, 41, 1288-1296
(Kintecus is unfortunately referenced in the Supporting Information document)
Kinetic Modeling of the Oxidation of p-Hydroxybenzoic Acid
by Fenton’s
Reagent: Implications of the Role of Quinones in the Redox Cycling of Iron
C H R I S T O P H E R K . D U E S T E R B E R G A N D
T . D A V I D W A I T E *
School of Civil and Environmental Engineering, The University of New South Wales, Sydney,
NSW 2052, Australia
Environ. Sci. Technol. 2007, 41, 4103-4110
(Kintecus is unfortunately referenced in the Supporting Information document
along with some detailed NSC and statisical analysis )
Kinetics of hydroxide-catalyzed methanolysis of crude
sunflower oil for the production of fuel-grade methyl esters
Manolito E. Bambase, Jr.,1 Nobuyuki Nakamura,2 Junko Tanaka,2 and Masatoshi Matsumura 1 *
1 University of Tsukuba, Ibaraki, Japan
2 Sun Care Fuel Corporation, University of Tsukuba, Ibaraki, Japan
J Chem Technol Biotechnol 82:273–280 (2007)
Modelling of the pyrolysis of high density polyethylene
Product distribution in a fluidized bed reactor
J.F. Mastral, C. Berrueco * , J. Ceamanos
Department of Chemical and Environmental Engineering, C.P.S., University of Zaragoza,
Mari´a de Luna 3, 50018 Zaragoza, Spain
J. Anal. Appl. Pyrolysis 79 (2007) 313–322
KINETIC MODELS OF C1 –C4 ALKANE OXIDATION AS APPLIED
TO PROCESSING OF HYDROCARBON GASES: PRINCIPLES, APPROACHES AND DEVELOPMENTS
Mikhail Sinev, Vladimir Arutyunov and Andrey Romanets
Laboratory of Heterogeneous Catalysis, Semenov Institute of Chemical Physics, Moscow,
Russia, Laboratory of Hydrocarbon Oxidation, Semenov Institute of Chemical Physics,
Moscow,
Russia, Russian Research Center Kurchatov Institute, Moscow, Russia
Advances in Chemical Engineering,vol.32, 2007
Enhanced
oxidation of NAD(P)H by oxidants in the presence of dehydrogenases but no evidence for a
superoxide-propagated chain oxidation of the bound coenzymes
FRANK PETRAT, THORSTEN BRAMEY, MICHAEL KIRSCH, UTA KERKWEG, HERBERT DE GROOT
Institut fu¨ r Physiologische Chemie, Universita¨tsklinikum, Hufelandstr. 55, D-45122,
Essen Germany
Free Radical Research - 2006
Factors Affecting the
Apparent Chain Transfer Rate Constants of Chromium Metalloradicals: Mechanistic
Implications
Lihao Tang and Jack R. Norton*
Department of Chemistry, Columbia UniVersity, 3000 Broadway, New York, New York 10027
Macromolecules - 2006
Thermal decomposition
of ammonia. N2H4 - an intermediate reaction product
Daniela Dirtu, Lucia Odochian, Aurel Pui, Ionel Humelnicu
Central European Journal of Chemistry - 2006
Kinetics of internalization and degradation of N-type
voltage-gated calcium channels: Role of the alpha2/gamma subunit
Geula M. Bernstein a,b, Owen T. Jones
Cell Calcium - 2006
Reaction Mechanism and Kinetic Modeling of DEET
Degradation by Flow-Through Anodic Fenton Treatment (FAFT)
H U I C H U N Z H A N G -A N D A N N T . L E M L E Y *
Graduate Field of Environmental Toxicology, TXA, MVR Hall,
Cornell University, Ithaca, New York 14853-4401
Environ. Sci. Technol. 2006, 40, 4488-4494 - 2006
Anomalous oxygen isotope enrichment in CO2 produced from
O+CO: Estimates based on experimental results and model predictions
Antra Pandey and S. K. Bhattacharyaa
Physical Research Laboratory, Navrangpura, Ahmedabad 380 009, India
THE JOURNAL OF CHEMICAL PHYSICS (JCP) 124, 234301 - 2006
Oxyhalogen-sulfur
chemistry — Kinetics and mechanism of the oxidation of cysteamine by acidic iodate
and iodine
Alice Chanakira, Edward
Chikwana, David H. Peyton, and Reuben H. Simoyi
Can. J. Chem. 84: 49–57 (2006)
Nitrosamine Formation Pathway Revisited: The Importance
of Chloramine Speciation and Dissolved Oxygen
I . M A R I E S C H R E I B E R A N D - W I L L I A M A . M I T C H *
Department of Chemical Engineering, Yale University, Mason
Environ. Sci. Technol. - 2006
Oxyhalogen-Sulfur
Chemistry: Kinetics and Mechanism of Oxidation of N-Acetylthiourea by Chlorite and
Chlorine Dioxide
Olufunke Olagunju, †,‡ Paul D. Siegel, ‡ Rotimi
Olojo, † and Reuben H. Simoyi*
Department of Chemistry, Portland State UniVersity, Portland, Oregon
J. Phys. Chem. A , 110, 2396-2410, - 2006
ß-Scission Reactions Confound Kinetic Studies of Bimolecular Reactions of Cyclic
Alkoxy Radicals
Theodore S. Dibble and Lei Zhang
Chemistry Department,
SUNY-Environmental Science and Forestry, Syracuse, NY 13210 - 2006
Plasma Enhanced Chemical Vapor Deposition of
Cubic Boron Nitride - 2005
Contact: J. Matheis, D. Sapounas, A. Lunk
Institut fur Plasmaforschung
Prof. Dr. Ulrich Stroth
Universitat Stuttgart, Germany
Relative Conversion of Lower
Alkanes in Their Simultaneous Partial Gas-Phase Oxidation
V. S. Arutyunov*, V. M. Rudakov**, V. I. Savchenko**, and
E. V. Sheverdenkin**
* Semenov Institute of Chemical Physics, Russian Academy of
Sciences, ul. Kosygina 4, Moscow, 119991 Russia
** Institute of Problems of Chemical Physics, Russian Academy of Sciences,
Chernogolovka, Moscow oblast, 142432 Russia
Theoretical Foundations of Chemical Engineering, Vol. 39, No. 5, pp. 487–492,
- 2005 .
"Product
formation and kinetic simulations in the pH range 1 -14 account for a free-radical
mechanism of peroxynitrite decomposition"
Archives of Biochemistry and Biophysics 418
(2003)133 ·50
Michael Kirsch, Hans-Gert Korth, Angela Wensing,
Reiner Sustmann,and Herbert de Groot
"The Autoxidation of
Tetrahydrobiopterin Revisited. Proof of Superoxide Formation from
Reaction of Tetrahydrobiopterin with Molecular Oxygen" - J. Bio. Chem.
Michael Kirsch Ą*,Hans-Gert Korth # ,Verena Stenert # ,Reiner
Sustmann # ,and Herbert de Groot Ą
The Autoxidation
of Tetrahydrobiopterin Revisited. (800 KB)
The OH-Initiated Oxidation of 1,3-Butadiene in the
Presence of O2 and NO: A Photolytic
Route To Study Isomeric Selective Reactivity
Erin E. Greenwald, † Jiho Park, †
Katie C. Anderson, † Hahkjoon
Kim, † B. Jesse E. Reich, †
Stephen A. Miller, † Renyi Zhang, ‡
and Simon W. North* ,†
Department of Chemistry, Texas
A&M UniVersity, P.O. Box 30012, College Station,
Texas 77842, and
Department of Atmospheric Sciences, Texas A&M UniVersity, College
Station, Texas 77842
JPhysChem-A - 2005
The yield and isotopic composition of
radiolytic H 2 , a
potential energy source for the deep
subsurface biosphere
LI-HUNG LIN,1, * † GREG F.
SLATER,2,3 BARBARA SHERWOOD LOLLAR,2 GEORGES LACRAMPE-COULOUME,2 and T. C. ONSTOTT 1
1 Department of Geosciences, Princeton
University, Princeton, NJ, USA
2 Stable Isotope Laboratory, Department of Geology, University of Toronto, Toronto, ON,
Canada
3 Woods Hole Oceanographic Institute, Woods Hole, MA, USA
Geochimica et Cosmochimica Acta, Vol.
69, No. 4, pp. 893–903, 2005
Measurement
of Reactive Mixing of Liquids with Combined PIV and Reactive PLIF Methodology
C.W. Lipp, P. A. Gillis, R. D. Spradling, K. Tsai,
DOW CHEMICAL
L. A. Melton
Department of Chemistry
University of Texas at Dallas
A three-dimensional perspective
on exon binding by a group II self-splicing intron (see page 5012)
Maria Costa
Center for Molecular Biology of RNA
Sinsheimer Laboratories
University of California at Santa Cruz
Santa Cruz, CA 95064
Francois Michel
Centre de Genetique Moleculaire du CNRS
91190 Gif-sur-Yvette
France
Eric Westhof
Institut de Biologie Moleculaire et Cellulaire du CNRS
15 rue Rene Descartes
67085 Strasbourg
France
Initiation
of a superoxide-dependent chain oxidation of lactate dehydrogenase-bound NADH by oxidants
of low and high reactivity
Frank Petrat , Thorsten Bramey , Michael Kirsch , Herbert De Groot
Institut für Physiologische Chemie, Universitätsklinikum, Hufelandstr. 55,
D-45122, Essen, Germany
Free Radical Research, DOI: 10.1080/10715760500231786 - 2005
Measurements of the
Kinetics of the OH-Initiated Oxidation of ß -Pinene:
Radical Propagation in the OH ß -Pinene +O2 +NO Reaction System
MAXINE E. DAVIS, CRAIG TAPSCOTT, PHILIP S. STEVENS
Int. J. Chem. Kin. - 2005
Parameter screening
for the chemical vapour deposition of BN films in the system B-N-H-F
• Jens Matheis, Dimitrios Sa-pounas, and Achim Lunk
Institute for Plasma Research, University
of Stuttgart, Pfaffenwaldring 31, 70569 Stuttgart, Germany
Analysis on reaction mechanism and influence
factors of emission in the CH4-air premixing combustion
Li, Gong; Gao, Tai-Yin; Chen, Zhong-Zhou; Hu,
Zong-Jie; Deng, Jun; Yu, Shui
School of Mechanical and Power Engineering, Shanghai Jiaotong University, Shanghai 200030,
China
Ranshao Kexue Yu Jishu/Journal of Combustion Science and Technology
Vol. 11(2), April 2005, p 142-148, Lang. Chinese
Hythec
: a search for a long term massive hydrogen production route
Alain LE DUIGOU, Jean-Marc BORGARD, Bruno LAROUSSE, Denis DOIZI, Catherine EYSSERIC
- Commissariat ŕ l’Energie Atomique (CEA – F) (i),Ray ALLEN, Bruce C. EWAN,
Geoff H PRIESTMAN, Rachael ELDER - (ii) .Giovanni CERRI, Coriolano SALVINI, Ambra
GIOVANNELLI, Giovanni DE MARIA (iii), Martin ROEB, Nathalie MONNERIE, Mark SCHMITZ,
Christian SATTLER-Deutsches Zentrum für Luft und Raumfahrt (DLR – D) (iv) Arturo
BUENAVENTURA, Daniel De LORENZO - Empresarios Agrupados (EA – SP) (v)
Stephane DECHELOTTE, Olivier BAUDOUIN - PROSIM (F) (vi) Proceedings International Hydrogen
Energy Congress and Exhibition IHEC 2005Istanbul, Turkey, 13-15 July 2005
(i) Department of Physico Chemistry – Commissariat ŕ l’Energie Atomique /
Saclay – FRANCE,(ii) The University of Sheffield - Firth Court, Western Bank - S102TN
Sheffield, UNITED KINGDOM,(iii) Universitŕ degli Studi ROMA TRE - Via della Vasca Navale 79 –
00146 Roma – ITALY,(iv) Deutsches Zentrum für Luft-und Raumfahrt e.V. - Linder Höhe –
51147 Köln – GERMANY,(v) Empresarios Agrupados Internacional, S.A. – Magallanes 3 –
28015 Madrid – SPAIN, (vi) ProSim SA – Stratčge Bâtiment A – F-31312 Labčge - FRANCE
Microhollow
Cathode Discharge Reactor Chemistry
Plasma Chemistry and Plasma Processing, March 2005
David D. Hsu and David B. Graves
Department of Chemical Engineering
University of California at Berkeley
(they incorrectly reference the name of Kineticus instead of Kintecus
in this paper)
Dodecane
Decomposition in a Radio-Frequency (RF) Plasma Reactor
International Journal of Chemical Reactor
Engineering
Volume 3 - 2005
- Article A4
Laura Merlo-Sosa and Gervais Soucy†
University of Sherbrooke, Canada
A comparison of the
Bader–Deuflhard and the Cash–Karp Runge–Kutta integrators for the GRI-MECH
3.0 model based on the chemical kinetics code Kintecus
2003
MIT Conference Computational Fluid and Solid Mechanics
An ab initio and kinetic
study of dimer sulfuric acid hydrates in THEOCHEM:
Dimer_Sulfuric_Acid (800 KB)
Fenton-Mediated
Oxidation in the Presence and Absence of Oxygen
ENVIRON. SCI. & TECHNOL. - 2005
C H R I S T O P H E R K . D U E S T E
R B E R G, W I L L I A M J . C O O P E R , ‡ A N D T . D A V I D W A I T E *
,†
Oxyhalogen –sulfur
chemistry:kinetics and mechanism of oxidation
of formamidine disulfide by acidic bromate (175KB) - PCCP
Nicholas Madhiri, Rotimi
Olojo and Reuben H.Simoyi
Department of Chemistry,Portland State
University,Portland, OR 97207-0751,USA
Measurements
of the kinetics of the OH-initiated oxidation of
a pinene:Radical propagation in the OH+a
pinene+O2 +NO
reaction system
Atmospheric Environment 39 ( 2005 ) 1765 ·774
Maxine E.Davis,Philip S.Stevens
Thermal decomposition reaction
mechanism of ammonia II.
Odochian, Lucia; Dumitras, Nihai; Dirtu,
Daniela. Fac. de Chim. Univ. "Al. I. Cuza", Iasi, Rom.
Revista de Chimie (Bucharest, Romania)
(2005), 56(5), 485-489.
Laser-Induced Fluorescence Spectra of
4-Methylcyclohexoxy Radical and Perdeuterated
Cyclohexoxy Radical and Direct
Kinetic Studies of Their Reactions with O2
JPhysChem-A - 2005
Lei Zhang, † Karen M. Callahan, ‡ Dean Derbyshire, § and
Theodore S. Dibble*
Oxyhalogen-Sulfur Chemistry: Kinetics and Mechanism of Oxidation of Guanylthiourea
JPhysChem-A - J. Phys. Chem. A 2004, 108, 11591-11599
Edward Chikwana, Adenike Otoikhian,
and Reuben H. Simoyi*
Kinetics and Products of the
Self-Reaction of Propargyl Radicals (140 kb)
JPhysChem-A - J. Phys. Chem. A 2003,
107, 8893-8903
Eugene V. Shafir, Irene R. Slagle, and Vadim D.
Knyazev
OH/OD Initiated Oxidation of Isoprene
in the Presence of O2 and NO (400k)
JPhysChem-A J. Phys. Chem. A 2004, 108, 10688-10697
Jiho Park, † Candice G. Jongsma, † Renyi Zhang, ‡ and
Simon W. North* ,†
The Combustion of SiCl4 in
Hot O2/H2 Flames (170KB)
Hanau, Industriepark Wolfgang GmbH* and
Business Unit Aerosil .and Silanes a of Degussa AG
Z. Anorg. Allg.
Chem. 2003, 629,
14851490
Bernd Hannebauer* and Frank Menzel - Degussa AG
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